Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our top-notch dedicated system is used to design specialised libraries.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Our library stands out due to several important features:
partner
Reaxense
upacc
O95347
UPID:
SMC2_HUMAN
Alternative names:
Chromosome-associated protein E; XCAP-E homolog
Alternative UPACC:
O95347; Q6IEE0; Q9P1P2
Background:
Structural maintenance of chromosomes protein 2, also known as Chromosome-associated protein E or XCAP-E homolog, plays a pivotal role in chromatin organization. It is a central component of the condensin complex, essential for converting interphase chromatin into mitotic-like condensed chromosomes. This process involves the introduction of positive supercoils into relaxed DNA, in collaboration with type I topoisomerases, and the conversion of nicked DNA into positive knotted forms with the help of type II topoisomerases.
Therapeutic significance:
Understanding the role of Structural maintenance of chromosomes protein 2 could open doors to potential therapeutic strategies.